| CAS Number | 70692-44-3 |
| Catalog Number | AG01B20W(AGN-PC-0WCBZJ) |
| Chemical Name | 4-Chloro-2-methyl-1-(trifluoromethoxy)benzene |
| IUPAC Name | 4-chloro-2-methyl-1-(trifluoromethoxy)benzene |
| InChI | InChI=1S/C8H6ClF3O/c1-5-4-6(9)2-3-7(5)13-8(10,11)12/h2-4H,1H3 |
| InChI Key | NDZHSPDLTLLMSL-UHFFFAOYSA-N |
| MDL Number | MFCD22580771 |
| Molecular Formula | C8H6ClF3O |
| Molecular Weight | 210.5808 |
| SMILES | CC1=C(OC(F)(F)F)C=CC(Cl)=C1 |
| Synonyms | 4-chloro-2-methyl-1-(trifluoromethoxy)benzene,
70692-44-3,
SCHEMBL16373984,
ZINC95215443,
AKOS016016174,
|
| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.006g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.58g/mol |
| Monoisotopic Mass | 210.006g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
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Certificate of Analysis
Lot Number